5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid

C15H18N4O3 — CID 167885370

About 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167885370) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

• Compound Name: 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
• PubChem CID: 167885370
• Molecular Formula: C15H18N4O3
• Molecular Weight: 302.33 g/mol
• Exact Mass: 302.14
• IUPAC Name: 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
• SMILES: O=C(O)c1cc2nccn2c(N2CC(CO)CC23CCC3)n1
• InChI: InChI=1S/C15H18N4O3/c20-9-10-7-15(2-1-3-15)19(8-10)14-17-11(13(21)22)6-12-16-4-5-18(12)14/h4-6,10,20H,1-3,7-9H2,(H,21,22)
• InChIKey: JSLABHJZSPZGJU-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 90.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.33
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?

The IUPAC name of 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167885370) is 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid.

What is the SMILES notation for 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?

The canonical SMILES for 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(N2CC(CO)CC23CCC3)n1.

What is the InChIKey of 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?

The InChIKey is JSLABHJZSPZGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-9-10-7-15(2-1-3-15)19(8-10)14-17-11(13(21)22)6-12-16-4-5-18(12)14/h4-6,10,20H,1-3,7-9H2,(H,21,22).

What are the key properties of 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?

5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167885370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).